Ultrafast Deactivation of an Excited Cytosine−Guanine Base Pair in DNA
نویسندگان
چکیده
منابع مشابه
Ultrafast deactivation of an excited cytosine-guanine base pair in DNA.
Multiconfigurational ab initio calculations and QM/MM molecular dynamics simulations of a photoexcited cytosine-guanine base pair in both gas phase and embedded in the DNA provide detailed structural and dynamical insights into the ultrafast radiationless deactivation mechanism. Photon absorption promotes transfer of a proton from the guanine to the cytosine. This proton transfer is followed by...
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2-Aminopyridine dimer has frequently been used as a model system for studying photochemistry of DNA base pairs. We examine here the relevance of 2-aminopyridine dimer for a Watson-Crick adenine-thymine base pair by studying UV-light induced photodynamics along two main hydrogen bridges after the excitation to the localized (1)pi pi(*) excited-state. The respective two-dimensional potential-ener...
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ژورنال
عنوان ژورنال: Journal of the American Chemical Society
سال: 2007
ISSN: 0002-7863,1520-5126
DOI: 10.1021/ja069176c